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Chemical structure of AP26113

GC17283

AP26113

Also known as 5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine

AP26113 (Brigatinib analog) is a potent and selective active inhibitor of anaplastic lymphoma kinase(ALK), Patent US20140066406 A1

ChemicalCAS1197958-12-5MW529.01FormulaC26H34ClN6O2P
CAS number
1197958-12-5
Molecular weight
529.01
Formula
C26H34ClN6O2P
Solubility
≥ 26·45mg/mL in DMSO
InChIKey
OVDSPTSBIQCAIN-UHFFFAOYSA-N
Catalogue number
GC17283
Brand
GLPBIO
Computed properties PubChem CID 57390074 · XLogP 4.8 · TPSA 82.6 Ų · H-bond donors 2
XLogP
4.8
TPSA
82.6 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36

SMILES CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC

Computed descriptors from PubChem (CID 57390074), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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